Vitas-M small molecule compound

methyl 3-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl}-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]propanoate

Catalog ID
STL540878
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1ccc(c(c1)OC)OCCc1ccc2c(c1)CCO2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C36H32O12 MW 656.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32O12/c1-44-29-15-19(5-8-28(29)47-11-9-18-3-7-27-20(13-18)10-12-46-27)22(16-30(41)45-2)31-25(39)17-26(40)32-33(42)34(43)35(48-36(31)32)21-4-6-23(37)24(38)14-21/h3-8,13-15,17,22,37-40,43H,9-12,16H2,1-2H3
InChIKey
JFIHYHJHQKUDKD-UHFFFAOYSA-N
Synonyms
1574289-35-2
1574289352
75491021
InChI=1SC36H32O12c144291519(5828(29)4711918372720(1318)10124627)22(1630(41)452)3125(39)1726(40)3233(42)34(43)35(4836(31)32)214623(37)24(38)1421h3813151722374043H91216H212H3
methyl3(4(2(23dihydro1benzofuran5yl)ethoxy)3methoxyphenyl)3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)propanoate
methyl3(4(2(23dihydro1benzofuran5yl)ethoxy)3methoxyphenyl)3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)propanoate
METHYL3(4(2(23DIHYDROBENZOFURAN5YL)ETHOXY)3METHOXYPHENYL)3(2(34DIHYDROXYPHENYL)357TRIHYDROXY4OXO4HCHROMEN8YL)PROPANOATE
MFCD28052136
ZINC000150652971
ZINC000150652972

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Available files

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